2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine

C45H35N3 — CID 167353705

IUPAC2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3ccc5ccccc5c3C43C4CC5CC(C4)CC3C5)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C45H35N3/c1-2-10-31(11-3-1)42-46-43(33-15-14-29-8-4-5-12-32(29)25-33)48-44(47-42)34-17-19-40-39(26-34)38-18-16-30-9-6-7-13-37(30)41(38)45(40)35-21-27-20-28(23-35)24-36(45)22-27/h1-19,25-28,35-36H,20-24H2
InChIKeyAVISFVRAHITYOG-UHFFFAOYSA-N
MW617.80 g/mol
LogP10.90
Rot. Bonds3

About 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine (PubChem CID 167353705) has the molecular formula C45H35N3 and a molecular weight of 617.80 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine
PubChem CID167353705
Molecular FormulaC45H35N3
Molecular Weight617.80 g/mol
Exact Mass617.28
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3ccc5ccccc5c3C43C4CC5CC(C4)CC3C5)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C45H35N3/c1-2-10-31(11-3-1)42-46-43(33-15-14-29-8-4-5-12-32(29)25-33)48-44(47-42)34-17-19-40-39(26-34)38-18-16-30-9-6-7-13-37(30)41(38)45(40)35-21-27-20-28(23-35)24-36(45)22-27/h1-19,25-28,35-36H,20-24H2
InChIKeyAVISFVRAHITYOG-UHFFFAOYSA-N
XLogP10.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.80
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808727
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,5-triazine
CID 167353943
8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808718
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[a]fluorene]-3'-yl-1,3,5-triazine
CID 167353607
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-3'-yl-1,3,5-triazine
CID 167353503
2-[3-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819047
2-naphthalen-2-yl-4-phenyl-6-[2-(2-spiro[adamantane-2,11'-benzo[a]fluorene]-1'-ylphenyl)phenyl]-1,3,5-triazine
CID 167353731
2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[adamantane-2,11'-benzo[a]fluorene]-6'-ylnaphthalen-2-yl)-1,3,5-triazine
CID 167353889
8'-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-3'-carbonitrile
CID 168798674
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-yl-1,3,5-triazine
CID 167353637
2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 167353905
2,4-diphenyl-6-spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-yl-1,3,5-triazine
CID 167353589

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine (CID 167353705) is 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)-c3ccc5ccccc5c3C43C4CC5CC(C4)CC3C5)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine?
The InChIKey is AVISFVRAHITYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N3/c1-2-10-31(11-3-1)42-46-43(33-15-14-29-8-4-5-12-32(29)25-33)48-44(47-42)34-17-19-40-39(26-34)38-18-16-30-9-6-7-13-37(30)41(38)45(40)35-21-27-20-28(23-35)24-36(45)22-27/h1-19,25-28,35-36H,20-24H2.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine?
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine has a molecular weight of 617.80 g/mol, XLogP of 10.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine is sourced from PubChem (CID 167353705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).